5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide

C17H22N2O — CID 65310344

IUPAC5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
SMILESCc1ccc(C#CCN)cc1C(=O)NC1(C)CCCC1
InChIInChI=1S/C17H22N2O/c1-13-7-8-14(6-5-11-18)12-15(13)16(20)19-17(2)9-3-4-10-17/h7-8,12H,3-4,9-11,18H2,1-2H3,(H,19,20)
InChIKeyPJQCRSMXNFTXCA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.37
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide

5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide (PubChem CID 65310344) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
PubChem CID65310344
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
SMILESCc1ccc(C#CCN)cc1C(=O)NC1(C)CCCC1
InChIInChI=1S/C17H22N2O/c1-13-7-8-14(6-5-11-18)12-15(13)16(20)19-17(2)9-3-4-10-17/h7-8,12H,3-4,9-11,18H2,1-2H3,(H,19,20)
InChIKeyPJQCRSMXNFTXCA-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-2-methylbenzamide
CID 65310396
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-2-yl)-2-methylbenzamide
CID 65310546
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 65309933
5-(3-aminoprop-1-ynyl)-2-methyl-N-(oxan-4-yl)benzamide
CID 65310974
5-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
5-(3-aminoprop-1-ynyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 65310832
5-(3-aminoprop-1-ynyl)-2-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586292

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide (CID 65310344) is 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide is Cc1ccc(C#CCN)cc1C(=O)NC1(C)CCCC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide?
The InChIKey is PJQCRSMXNFTXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-7-8-14(6-5-11-18)12-15(13)16(20)19-17(2)9-3-4-10-17/h7-8,12H,3-4,9-11,18H2,1-2H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide?
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide has a molecular weight of 270.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide is sourced from PubChem (CID 65310344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).